SCHEMBL3040350

SCHEMBL3040350

CC1(C(=O)NCc2cccc(C(F)(F)F)c2)CCN(CC2CCOCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.50
▸ GLS O94925 1/20 0.49
▸ EBP Q15125 6/20 0.49
▸ CCR2 P41597 2/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ OPRL1 P41146 1/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ TACR2 P21452 1/20 0.44
▸ UBE2M P61081 1/20 0.43
▸ DCUN1D1 Q96GG9 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3042038 0.91 CCR2 (0.55) EBPCCR2KCNH2
SCHEMBL3022931 0.87 CCR2 (0.50) EBPCCR2KCNH2CYP3A4TSHR
SCHEMBL3039782 0.82 ENPP2 (0.50) HRH3EBPCCR2TSHRKMT2A
SCHEMBL3042043 0.80 CCR2 (0.49) EBPCCR2CYP3A4TACR2UBE2M
SCHEMBL3023281 0.77 CCR2 (0.56) EBPCCR2
SCHEMBL3023614 0.77 CCR2 (0.51) EBPCCR2TSHR
SCHEMBL3029819 0.77 CCR2 (0.57) EBPCCR2TSHR
SCHEMBL3034833 0.77 CCR2 (0.47) EBPCCR2CYP3A4UBE2MDCUN1D1
SCHEMBL3033473 0.77 CCR2 (0.48) EBPCCR2KCNH2
SCHEMBL4796303 0.76 CCR2 (0.48) EBPCCR2KCNH2CYP3A4UBE2M

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — US disclosed
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 HRH3 183/4885GLS 922/4885EBP 1339/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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